ethyl 5-fluoranyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H25FN4O3+2 MolecularWeight: 364.414503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H23FN4O3/c1-3-26-18(25)17-16(13-10-12(19)4-5-14(13)20-17)21-15(24)11-23-8-6-22(2)7-9-23/h4-5,10,20H,3,6-9,11H2,1-2H3,(H,21,24)/p+2